molstar 4.3.0 → 4.4.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/LICENSE +20 -20
- package/README.md +197 -197
- package/build/viewer/embedded.html +52 -52
- package/build/viewer/index.html +129 -129
- package/build/viewer/molstar.css +1 -1
- package/build/viewer/molstar.js +1 -1
- package/build/viewer/molstar.js.LICENSE.txt +0 -9
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/viewport.d.ts +1 -1
- package/lib/apps/docking-viewer/viewport.js +2 -1
- package/lib/apps/mesoscale-explorer/app.d.ts +3 -1
- package/lib/apps/mesoscale-explorer/app.js +12 -1
- package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
- package/lib/apps/mesoscale-explorer/behavior/camera.js +32 -6
- package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
- package/lib/apps/mesoscale-explorer/behavior/select.js +58 -9
- package/lib/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
- package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +8 -5
- package/lib/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
- package/lib/apps/mesoscale-explorer/data/generic/model.js +2 -1
- package/lib/apps/mesoscale-explorer/data/generic/preset.js +7 -6
- package/lib/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
- package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +6 -3
- package/lib/apps/mesoscale-explorer/data/petworld/model.js +3 -1
- package/lib/apps/mesoscale-explorer/data/petworld/preset.js +6 -3
- package/lib/apps/mesoscale-explorer/data/state.d.ts +48 -10
- package/lib/apps/mesoscale-explorer/data/state.js +83 -8
- package/lib/apps/mesoscale-explorer/index.html +106 -101
- package/lib/apps/mesoscale-explorer/style.scss +66 -33
- package/lib/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
- package/lib/apps/mesoscale-explorer/ui/entities.js +301 -32
- package/lib/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
- package/lib/apps/mesoscale-explorer/ui/panels.js +42 -5
- package/lib/apps/mesoscale-explorer/ui/states.d.ts +60 -2
- package/lib/apps/mesoscale-explorer/ui/states.js +471 -11
- package/lib/apps/viewer/app.d.ts +10 -4
- package/lib/apps/viewer/app.js +28 -0
- package/lib/apps/viewer/embedded.html +52 -52
- package/lib/apps/viewer/index.html +129 -129
- package/lib/cli/chem-comp-dict/create-ions.js +9 -9
- package/lib/cli/chem-comp-dict/create-saccharides.js +9 -9
- package/lib/cli/cifschema/util/generate.js +12 -12
- package/lib/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +1 -1
- package/lib/commonjs/apps/docking-viewer/viewport.js +2 -1
- package/lib/commonjs/apps/mesoscale-explorer/app.d.ts +3 -1
- package/lib/commonjs/apps/mesoscale-explorer/app.js +12 -1
- package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
- package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.js +34 -8
- package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
- package/lib/commonjs/apps/mesoscale-explorer/behavior/select.js +58 -9
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +8 -6
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.js +2 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +9 -9
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +6 -4
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/model.js +3 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +6 -4
- package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +48 -10
- package/lib/commonjs/apps/mesoscale-explorer/data/state.js +107 -28
- package/lib/commonjs/apps/mesoscale-explorer/data/util.js +2 -3
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +302 -30
- package/lib/commonjs/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
- package/lib/commonjs/apps/mesoscale-explorer/ui/panels.js +39 -2
- package/lib/commonjs/apps/mesoscale-explorer/ui/states.d.ts +60 -2
- package/lib/commonjs/apps/mesoscale-explorer/ui/states.js +477 -13
- package/lib/commonjs/apps/viewer/app.d.ts +10 -4
- package/lib/commonjs/apps/viewer/app.js +28 -0
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +9 -9
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +9 -9
- package/lib/commonjs/cli/chem-comp-dict/util.js +7 -7
- package/lib/commonjs/cli/cif2bcif/converter.js +1 -2
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +2 -3
- package/lib/commonjs/cli/cifschema/util/generate.js +13 -14
- package/lib/commonjs/cli/cifschema/util/helper.js +1 -2
- package/lib/commonjs/cli/cifschema/util/schema.js +9 -10
- package/lib/commonjs/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/cli/state-docs/pd-to-md.js +1 -2
- package/lib/commonjs/cli/structure-info/helpers.js +2 -3
- package/lib/commonjs/cli/structure-info/model.js +11 -12
- package/lib/commonjs/examples/alpha-orbitals/controls.js +1 -2
- package/lib/commonjs/examples/alpha-orbitals/example-data.js +160 -160
- package/lib/commonjs/examples/basic-wrapper/custom-theme.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +1 -2
- package/lib/commonjs/examples/lighting/index.d.ts +1 -1
- package/lib/commonjs/examples/lighting/index.js +2 -1
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.d.ts +5 -20
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +1 -2
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +1 -2
- package/lib/commonjs/examples/task.js +6 -6
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +1 -2
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +4 -5
- package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +136 -136
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +3 -3
- package/lib/commonjs/extensions/anvil/algorithm.js +5 -5
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/anvil/behavior.js +2 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
- package/lib/commonjs/extensions/anvil/representation.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/assembly-symmetry/behavior.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/color.d.ts +2 -2
- package/lib/commonjs/extensions/assembly-symmetry/color.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/prop.js +27 -27
- package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
- package/lib/commonjs/extensions/assembly-symmetry/representation.js +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +3 -3
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +3 -3
- package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +7 -7
- package/lib/commonjs/extensions/dnatco/ntc-tube/color.js +3 -3
- package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/ntc-tube/representation.js +3 -3
- package/lib/commonjs/extensions/g3d/data.js +2 -3
- package/lib/commonjs/extensions/g3d/format.d.ts +3 -3
- package/lib/commonjs/extensions/g3d/model.js +5 -5
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +2 -2
- package/lib/commonjs/extensions/geo-export/ui.d.ts +0 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +41 -41
- package/lib/commonjs/extensions/meshes/examples.js +9 -9
- package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +3 -6
- package/lib/commonjs/extensions/meshes/mesh-extension.js +2 -2
- package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +3 -3
- package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +3 -3
- package/lib/commonjs/extensions/meshes/mesh-utils.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +1 -1
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +11 -8
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +3 -3
- package/lib/commonjs/extensions/model-export/export.js +2 -2
- package/lib/commonjs/extensions/model-export/ui.d.ts +0 -1
- package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -1
- package/lib/commonjs/extensions/mp4-export/encoder.js +1 -2
- package/lib/commonjs/extensions/mp4-export/ui.d.ts +0 -1
- package/lib/commonjs/extensions/mvs/camera.js +4 -5
- package/lib/commonjs/extensions/mvs/components/annotation-color-theme.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +32 -32
- package/lib/commonjs/extensions/mvs/components/annotation-label/representation.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +16 -16
- package/lib/commonjs/extensions/mvs/components/annotation-label/visual.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-prop.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-structure-component.js +4 -4
- package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +32 -32
- package/lib/commonjs/extensions/mvs/components/custom-label/representation.js +2 -2
- package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +16 -16
- package/lib/commonjs/extensions/mvs/components/custom-label/visual.js +2 -2
- package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -6
- package/lib/commonjs/extensions/mvs/components/formats.js +2 -2
- package/lib/commonjs/extensions/mvs/components/is-mvs-model-prop.js +3 -3
- package/lib/commonjs/extensions/mvs/components/multilayer-color-theme.js +3 -3
- package/lib/commonjs/extensions/mvs/components/selector.js +3 -3
- package/lib/commonjs/extensions/mvs/helpers/indexing.d.ts +2 -2
- package/lib/commonjs/extensions/mvs/helpers/label-text.js +1 -2
- package/lib/commonjs/extensions/mvs/helpers/param-definition.js +2 -3
- package/lib/commonjs/extensions/mvs/helpers/schemas.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/helpers/schemas.js +2 -2
- package/lib/commonjs/extensions/mvs/helpers/selections.js +6 -7
- package/lib/commonjs/extensions/mvs/helpers/utils.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/helpers/utils.js +7 -7
- package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/load-helpers.js +17 -17
- package/lib/commonjs/extensions/mvs/load.js +1 -2
- package/lib/commonjs/extensions/mvs/tree/generic/params-schema.js +8 -8
- package/lib/commonjs/extensions/mvs/tree/generic/tree-schema.js +8 -9
- package/lib/commonjs/extensions/mvs/tree/generic/tree-utils.js +10 -11
- package/lib/commonjs/extensions/mvs/tree/molstar/conversion.js +4 -4
- package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +0 -8
- package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.js +3 -3
- package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +3 -3
- package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +5 -5
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/color.js +3 -3
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/labels.js +1 -2
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/property.js +2 -2
- package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.js +2 -3
- package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.js +2 -2
- package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.d.ts +6 -6
- package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.js +3 -3
- package/lib/commonjs/extensions/sb-ncbr/tunnels/props.js +2 -2
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.js +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/external-api.js +2 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/helpers.js +6 -6
- package/lib/commonjs/extensions/volumes-and-segmentations/ui.d.ts +0 -1
- package/lib/commonjs/extensions/zenodo/ui.d.ts +0 -1
- package/lib/commonjs/mol-canvas3d/camera/transition.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/camera/transition.js +23 -6
- package/lib/commonjs/mol-canvas3d/camera/util.js +3 -4
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +9 -1
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.d.ts +1 -6
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +2 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +4 -3
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +7 -2
- package/lib/commonjs/mol-canvas3d/util.js +3 -4
- package/lib/commonjs/mol-data/db/column-helpers.js +6 -7
- package/lib/commonjs/mol-data/db/column.d.ts +1 -1
- package/lib/commonjs/mol-data/generic/hash-set.js +1 -2
- package/lib/commonjs/mol-data/generic/linked-list.js +1 -2
- package/lib/commonjs/mol-data/int/impl/interval.js +15 -15
- package/lib/commonjs/mol-data/int/impl/ordered-set.js +25 -25
- package/lib/commonjs/mol-data/int/impl/segmentation.js +7 -7
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +31 -31
- package/lib/commonjs/mol-data/int/linked-index.js +1 -2
- package/lib/commonjs/mol-data/util/array.js +5 -6
- package/lib/commonjs/mol-data/util/buckets.js +1 -2
- package/lib/commonjs/mol-data/util/combination.js +2 -2
- package/lib/commonjs/mol-data/util/equivalence-classes.js +2 -2
- package/lib/commonjs/mol-data/util/grouping.js +2 -3
- package/lib/commonjs/mol-data/util/hash-functions.js +9 -10
- package/lib/commonjs/mol-data/util/sort.js +5 -6
- package/lib/commonjs/mol-geo/geometry/base.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/base.js +3 -3
- package/lib/commonjs/mol-geo/geometry/clipping-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/color-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +3 -4
- package/lib/commonjs/mol-geo/geometry/emissive-data.js +5 -6
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/marker-data.js +3 -4
- package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +2 -3
- package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +4 -5
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +2 -3
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +7 -8
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -0
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/size-data.js +9 -9
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -0
- package/lib/commonjs/mol-geo/geometry/substance-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +3 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +7 -7
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -0
- package/lib/commonjs/mol-geo/geometry/transform-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +5 -6
- package/lib/commonjs/mol-geo/primitive/box.js +3 -4
- package/lib/commonjs/mol-geo/primitive/cage.js +3 -4
- package/lib/commonjs/mol-geo/primitive/circle.js +2 -2
- package/lib/commonjs/mol-geo/primitive/cylinder.js +2 -2
- package/lib/commonjs/mol-geo/primitive/dodecahedron.js +3 -3
- package/lib/commonjs/mol-geo/primitive/icosahedron.js +2 -3
- package/lib/commonjs/mol-geo/primitive/octahedron.js +4 -4
- package/lib/commonjs/mol-geo/primitive/plane.js +2 -3
- package/lib/commonjs/mol-geo/primitive/polygon.js +1 -2
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +2 -2
- package/lib/commonjs/mol-geo/primitive/primitive.js +4 -5
- package/lib/commonjs/mol-geo/primitive/prism.js +11 -11
- package/lib/commonjs/mol-geo/primitive/pyramid.js +6 -7
- package/lib/commonjs/mol-geo/primitive/sphere.js +2 -3
- package/lib/commonjs/mol-geo/primitive/spiked-ball.js +1 -2
- package/lib/commonjs/mol-geo/primitive/star.js +2 -2
- package/lib/commonjs/mol-geo/primitive/tetrahedron.js +3 -3
- package/lib/commonjs/mol-geo/primitive/torus.js +2 -2
- package/lib/commonjs/mol-geo/primitive/wedge.js +3 -4
- package/lib/commonjs/mol-geo/util/location-iterator.js +3 -4
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +2 -3
- package/lib/commonjs/mol-geo/util/marching-cubes/builder.js +2 -3
- package/lib/commonjs/mol-geo/util/marching-cubes/tables.js +3 -3
- package/lib/commonjs/mol-geo/util.js +7 -8
- package/lib/commonjs/mol-gl/compute/grid3d.js +2 -3
- package/lib/commonjs/mol-gl/compute/hi-z.js +1 -2
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +1 -2
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +1 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +1 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +2 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/tables.js +2 -3
- package/lib/commonjs/mol-gl/compute/util.js +5 -5
- package/lib/commonjs/mol-gl/render-object.js +3 -3
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +1 -0
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -2
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +1 -0
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -2
- package/lib/commonjs/mol-gl/renderable/image.js +2 -2
- package/lib/commonjs/mol-gl/renderable/lines.js +2 -2
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +1 -0
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -2
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- package/lib/mol-gl/shader/spheres.frag.js +148 -148
- package/lib/mol-gl/shader/spheres.vert.js +132 -132
- package/lib/mol-gl/shader/ssao-blur.frag.d.ts +1 -1
- package/lib/mol-gl/shader/ssao-blur.frag.js +100 -97
- package/lib/mol-gl/shader/ssao.frag.js +211 -211
- package/lib/mol-gl/shader/text.frag.js +85 -85
- package/lib/mol-gl/shader/text.vert.js +85 -85
- package/lib/mol-gl/shader/util/grid3d-template.frag.js +46 -46
- package/lib/mol-gl/shader-code.js +16 -16
- package/lib/mol-gl/webgl/compat.js +12 -12
- package/lib/mol-gl/webgl/render-item.d.ts +2 -2
- package/lib/mol-io/common/simple-buffer.d.ts +0 -1
- package/lib/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +9 -1
- package/lib/mol-io/reader/cif/schema/mmcif.js +9 -1
- package/lib/mol-io/reader/common/text/column/fixed.d.ts +1 -1
- package/lib/mol-io/reader/common/text/column/token.d.ts +1 -1
- package/lib/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/mol-model/loci.d.ts +1 -1
- package/lib/mol-model/sequence/alignment/alignment.d.ts +2 -1
- package/lib/mol-model/structure/model/types/saccharides.js +1 -1
- package/lib/mol-model/structure/model/types.d.ts +3 -3
- package/lib/mol-model/structure/query/queries/generators.js +2 -2
- package/lib/mol-model/structure/structure/properties.d.ts +1 -0
- package/lib/mol-model/structure/structure/properties.js +1 -0
- package/lib/mol-model/volume/volume.d.ts +6 -6
- package/lib/mol-model-formats/shape/ply.d.ts +2 -0
- package/lib/mol-model-formats/structure/basic/schema.d.ts +1 -0
- package/lib/mol-model-formats/structure/common/entity.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions.d.ts +3 -0
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
- package/lib/mol-model-props/sequence/themes/sifts-mapping.d.ts +2 -2
- package/lib/mol-plugin/behavior/behavior.d.ts +9 -9
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +3 -3
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +4 -4
- package/lib/mol-plugin/commands.d.ts +23 -87
- package/lib/mol-plugin/context.d.ts +3 -2
- package/lib/mol-plugin/context.js +4 -2
- package/lib/mol-plugin/state.d.ts +7 -7
- package/lib/mol-plugin/util/headless-screenshot.d.ts +1 -1
- package/lib/mol-plugin/util/headless-screenshot.js +3 -1
- package/lib/mol-plugin/util/viewport-screenshot.d.ts +1 -1
- package/lib/mol-plugin/util/viewport-screenshot.js +2 -1
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/volume.d.ts +1 -1
- package/lib/mol-plugin-state/actions/volume.js +4 -12
- package/lib/mol-plugin-state/animation/built-in/model-index.d.ts +2 -2
- package/lib/mol-plugin-state/formats/registry.d.ts +1 -1
- package/lib/mol-plugin-state/formats/trajectory.d.ts +9 -9
- package/lib/mol-plugin-state/formats/volume.d.ts +0 -1
- package/lib/mol-plugin-state/manager/structure/hierarchy.d.ts +3 -3
- package/lib/mol-plugin-state/manager/structure/measurement.d.ts +4 -0
- package/lib/mol-plugin-state/objects.d.ts +97 -97
- package/lib/mol-plugin-state/transforms/data.d.ts +10 -1
- package/lib/mol-plugin-state/transforms/data.js +30 -1
- package/lib/mol-plugin-state/transforms/representation.d.ts +6 -0
- package/lib/mol-plugin-ui/base.js +2 -1
- package/lib/mol-plugin-ui/controls/icons.d.ts +5 -0
- package/lib/mol-plugin-ui/controls/icons.js +10 -0
- package/lib/mol-plugin-ui/controls/parameters.d.ts +3 -3
- package/lib/mol-plugin-ui/controls.js +1 -1
- package/lib/mol-plugin-ui/left-panel.d.ts +0 -1
- package/lib/mol-plugin-ui/plugin.js +3 -2
- package/lib/mol-plugin-ui/skin/base/base.scss +37 -37
- package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
- package/lib/mol-plugin-ui/skin/base/components/controls.scss +451 -445
- package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
- package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
- package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
- package/lib/mol-plugin-ui/skin/base/components/misc.scss +663 -663
- package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
- package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
- package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
- package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
- package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
- package/lib/mol-plugin-ui/skin/base/components/viewport.scss +194 -194
- package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
- package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
- package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
- package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
- package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
- package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
- package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/variables.scss +88 -88
- package/lib/mol-plugin-ui/skin/blue.scss +1 -1
- package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
- package/lib/mol-plugin-ui/skin/dark.scss +1 -1
- package/lib/mol-plugin-ui/skin/light.scss +1 -1
- package/lib/mol-plugin-ui/spec.d.ts +10 -10
- package/lib/mol-plugin-ui/spec.js +1 -1
- package/lib/mol-plugin-ui/state/apply-action.d.ts +1 -1
- package/lib/mol-plugin-ui/state/update-transform.d.ts +1 -1
- package/lib/mol-plugin-ui/structure/quick-styles.d.ts +2 -1
- package/lib/mol-plugin-ui/structure/quick-styles.js +5 -2
- package/lib/mol-plugin-ui/structure/selection.d.ts +2 -2
- package/lib/mol-repr/representation.d.ts +3 -3
- package/lib/mol-repr/shape/loci/angle.d.ts +1 -0
- package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
- package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
- package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
- package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
- package/lib/mol-repr/structure/complex-visual.d.ts +5 -0
- package/lib/mol-repr/structure/params.d.ts +5 -0
- package/lib/mol-repr/structure/registry.d.ts +11 -0
- package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
- package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +3 -0
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
- package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
- package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
- package/lib/mol-repr/structure/units-visual.d.ts +5 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/element-sphere.d.ts +4 -0
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -0
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +4 -0
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-atomic-bond.d.ts +2 -0
- package/lib/mol-repr/structure/visual/nucleotide-atomic-element.d.ts +2 -0
- package/lib/mol-repr/structure/visual/nucleotide-atomic-ring-fill.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/util/nucleotide.d.ts +60 -60
- package/lib/mol-repr/volume/direct-volume.d.ts +48 -45
- package/lib/mol-repr/volume/isosurface.d.ts +95 -90
- package/lib/mol-repr/volume/registry.d.ts +63 -60
- package/lib/mol-repr/volume/segment.d.ts +80 -75
- package/lib/mol-repr/volume/slice.d.ts +45 -45
- package/lib/mol-script/language/symbol-table/core.d.ts +1 -1
- package/lib/mol-state/object.d.ts +4 -4
- package/lib/mol-state/state.d.ts +4 -4
- package/lib/mol-state/transform.d.ts +1 -1
- package/lib/mol-state/transformer.d.ts +1 -1
- package/lib/mol-task/util/scheduler.d.ts +0 -1
- package/lib/mol-theme/color/atom-id.d.ts +2 -2
- package/lib/mol-theme/color/chain-id.d.ts +2 -2
- package/lib/mol-theme/color/element-index.d.ts +2 -2
- package/lib/mol-theme/color/entity-id.d.ts +2 -2
- package/lib/mol-theme/color/entity-source.d.ts +2 -2
- package/lib/mol-theme/color/external-volume.d.ts +2 -2
- package/lib/mol-theme/color/model-index.d.ts +2 -2
- package/lib/mol-theme/color/operator-hkl.d.ts +2 -2
- package/lib/mol-theme/color/operator-name.d.ts +2 -2
- package/lib/mol-theme/color/polymer-id.d.ts +2 -2
- package/lib/mol-theme/color/polymer-index.d.ts +2 -2
- package/lib/mol-theme/color/structure-index.d.ts +2 -2
- package/lib/mol-theme/color/trajectory-index.d.ts +2 -2
- package/lib/mol-theme/color/unit-index.d.ts +2 -2
- package/lib/mol-theme/color/volume-segment.d.ts +2 -2
- package/lib/mol-theme/color.d.ts +16 -16
- package/lib/mol-theme/theme.d.ts +3 -3
- package/lib/mol-util/color/palette.d.ts +4 -3
- package/lib/mol-util/color/scale.d.ts +2 -1
- package/lib/mol-util/data-source.d.ts +0 -1
- package/lib/mol-util/nodejs-shims.d.ts +1 -1
- package/lib/servers/common/swagger-ui/indexTemplate.js +66 -66
- package/lib/servers/model/config.d.ts +4 -4
- package/lib/servers/model/utils/tar.d.ts +0 -1
- package/lib/servers/volume/common/binary-schema.d.ts +0 -1
- package/lib/servers/volume/common/data-format.d.ts +0 -1
- package/lib/servers/volume/config.d.ts +1 -5
- package/lib/servers/volume/config.js +5 -5
- package/package.json +197 -196
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@@ -7,7 +7,7 @@ import { StateObjectRef } from '../../../../mol-state';
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import { MesoscaleGroup, MesoscaleState, getDistinctBaseColors, getGraphicsModeProps, getMesoscaleGroupParams } from '../state';
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.applyOrUpdateTagged('group:ent:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `ent:`, label: 'entity', color: { type: 'generate', value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:ent:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
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.applyOrUpdateTagged('group:ent:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `ent:`, label: 'entity', color: { type: 'generate', illustrative: false, value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:ent:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
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.applyOrUpdateTagged(`group:ent:mem`, MesoscaleGroup, { ...groupParams, index: undefined, tag: `ent:mem`, label: 'Membrane', color: { type: 'uniform', value: ColorNames.lightgrey, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `ent:`, state: { isCollapsed: true, isHidden: groupParams.hidden } })
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.applyOrUpdateTagged(`group:ent:mem`, MesoscaleGroup, { ...groupParams, index: undefined, tag: `ent:mem`, label: 'Membrane', color: { type: 'uniform', illustrative: false, value: ColorNames.lightgrey, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `ent:`, state: { isCollapsed: true, isHidden: groupParams.hidden } })
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is(obj?: import("../../../mol-state").StateObject): obj is import("../../../mol-state").StateObject<{}, PSO.TypeInfo>;
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};
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export declare class MesoscaleGroupObject extends MesoscaleGroupObject_base {
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}
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index: number;
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tag: string;
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label: string;
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description: string;
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hidden: boolean;
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color: PD.Normalize<{
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type: any;
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illustrative: any;
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value: any;
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variability: any;
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shift: any;
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graphics: PD.Select<GraphicsMode>;
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description: PD.Value<string>;
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focusInfo: PD.Value<string>;
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link: PD.Value<string>;
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textSizeDescription: PD.Numeric;
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index: PD.Value<number>;
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};
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declare const MesoscaleStateObject_base: {
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new (data: PD.Values<{
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description: PD.Value<string>;
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focusInfo: PD.Value<string>;
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link: PD.Value<string>;
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textSizeDescription: PD.Numeric;
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index: PD.Value<number>;
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}>, props?: {
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label: string;
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description?: string
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description?: string;
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} | undefined): {
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id: import("../../../mol-util").UUID;
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type: PSO.TypeInfo;
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label: string;
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description?: string
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description?: string;
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data: PD.Values<{
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filter: PD.Value<string>;
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graphics: PD.Select<GraphicsMode>;
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description: PD.Value<string>;
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focusInfo: PD.Value<string>;
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link: PD.Value<string>;
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textSizeDescription: PD.Numeric;
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index: PD.Value<number>;
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}>;
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};
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type: PSO.TypeInfo;
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is(obj?: import("../../../mol-state").StateObject
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is(obj?: import("../../../mol-state").StateObject): obj is import("../../../mol-state").StateObject<PD.Values<{
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filter: PD.Value<string>;
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description: PD.Value<string>;
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textSizeDescription: PD.Numeric;
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index: PD.Value<number>;
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}>, PSO.TypeInfo>;
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};
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export declare class MesoscaleStateObject extends MesoscaleStateObject_base {
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export declare function getRoots(plugin: PluginContext): StateSelection.CellSeq<StateObjectCell<MesoscaleGroupObject>>;
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export declare function getGroups(plugin: PluginContext, tag?: string): StateSelection.CellSeq<StateObjectCell<MesoscaleGroupObject>>;
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export declare function getAllGroups(plugin: PluginContext, tag?: string): StateObjectCell<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateTransform<import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>>>[];
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export declare function getAllLeafGroups(plugin: PluginContext, tag: string): StateObjectCell<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateTransform<import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>>>[];
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export declare function getAllLeafGroups(plugin: PluginContext, tag: string | undefined): StateObjectCell<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateTransform<import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>>>[];
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type EntityCells = StateSelection.CellSeq<StateObjectCell<PSO.Molecule.Structure.Representation3D | PSO.Shape.Representation3D>>;
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export declare function getEntities(plugin: PluginContext, tag?: string): EntityCells;
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export declare function getFilteredEntities(plugin: PluginContext, tag: string, filter: string
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export declare function getFilteredEntities(plugin: PluginContext, tag: string | undefined, filter: string | undefined): EntityCells;
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export declare function getAllEntities(plugin: PluginContext, tag?: string): EntityCells;
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export declare function getAllFilteredEntities(plugin: PluginContext, tag: string, filter: string
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export declare function getAllFilteredEntities(plugin: PluginContext, tag: string | undefined, filter: string | undefined): EntityCells;
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export declare function getEveryEntity(plugin: PluginContext, filter?: string, tag?: string): EntityCells;
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export declare function getEntityLabel(plugin: PluginContext, cell: StateObjectCell): string;
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export declare function
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export declare function getCellDescription(cell: StateObjectCell): string;
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export declare function getEntityDescription(plugin: PluginContext, cell: StateObjectCell): string;
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export declare function updateColors(plugin: PluginContext, values: PD.Values, options?: PD.Values, tag?: string, filter?: string): Promise<void>;
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export declare function expandAllGroups(plugin: PluginContext): void;
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export declare function updateReprParams(plugin: PluginContext, options: PD.Values): Promise<void>;
|
|
@@ -18,6 +18,7 @@ import { StateObjectRef, StateSelection } from '../../../mol-state';
|
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18
18
|
import { ShapeRepresentation3D, StructureRepresentation3D } from '../../../mol-plugin-state/transforms/representation';
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19
19
|
import { assertUnreachable } from '../../../mol-util/type-helpers';
|
|
20
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|
import { saturate } from '../../../mol-math/interpolate';
|
|
21
|
+
import { Material } from '../../../mol-util/material';
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|
function getHueRange(hue, variability) {
|
|
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|
let min = hue - variability;
|
|
23
24
|
const minOverflow = (min < 0 ? -min : 0);
|
|
@@ -94,6 +95,7 @@ export function getDistinctBaseColors(count, shift, props) {
|
|
|
94
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|
}
|
|
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|
export const ColorParams = {
|
|
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|
type: PD.Select('generate', PD.arrayToOptions(['generate', 'uniform', 'custom'])),
|
|
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|
+
illustrative: PD.Boolean(false, { description: 'Illustrative style', hideIf: p => p.type === 'custom' }),
|
|
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|
value: PD.Color(Color(0xFFFFFF), { hideIf: p => p.type === 'custom' }),
|
|
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|
variability: PD.Numeric(20, { min: 1, max: 180, step: 1 }, { hideIf: p => p.type !== 'generate' }),
|
|
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|
shift: PD.Numeric(0, { min: 0, max: 100, step: 1 }, { hideIf: p => !p.type.includes('generate') }),
|
|
@@ -104,6 +106,7 @@ export const ColorParams = {
|
|
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|
export const ColorValueParam = PD.Color(Color(0xFFFFFF));
|
|
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|
export const RootParams = {
|
|
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|
type: PD.Select('custom', PD.arrayToOptions(['group-generate', 'group-uniform', 'generate', 'uniform', 'custom'])),
|
|
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|
+
illustrative: PD.Boolean(false, { description: 'Illustrative style', hideIf: p => p.type === 'custom' }),
|
|
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|
value: PD.Color(Color(0xFFFFFF), { hideIf: p => p.type !== 'uniform' }),
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variability: PD.Numeric(20, { min: 1, max: 180, step: 1 }, { hideIf: p => p.type !== 'group-generate' }),
|
|
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shift: PD.Numeric(0, { min: 0, max: 100, step: 1 }, { hideIf: p => !p.type.includes('generate') }),
|
|
@@ -115,16 +118,27 @@ export const LightnessParams = {
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lightness: PD.Numeric(0, { min: -6, max: 6, step: 0.1 }),
|
|
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|
};
|
|
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|
export const DimLightness = 6;
|
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|
+
export const IllustrativeParams = {
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|
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|
+
illustrative: PD.Boolean(false, { description: 'Illustrative style' }),
|
|
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|
+
};
|
|
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|
export const OpacityParams = {
|
|
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|
alpha: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
|
|
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|
};
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|
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|
export const EmissiveParams = {
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|
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|
emissive: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }),
|
|
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|
};
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|
+
export const celShaded = {
|
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|
+
celShaded: PD.Boolean(false, { description: 'Cel Shading light for stylized rendering of representations' })
|
|
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|
+
};
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|
export const PatternParams = {
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frequency: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
|
|
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|
amplitude: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
|
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|
};
|
|
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|
+
export const StyleParams = {
|
|
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|
+
ignoreLight: PD.Boolean(false, { description: 'Ignore light for stylized rendering of representations' }),
|
|
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|
+
materialStyle: Material.getParam(),
|
|
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|
+
celShaded: PD.Boolean(false, { description: 'Cel Shading light for stylized rendering of representations' }),
|
|
141
|
+
};
|
|
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|
export const LodParams = {
|
|
129
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|
lodLevels: Spheres.Params.lodLevels,
|
|
130
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|
cellSize: Spheres.Params.cellSize,
|
|
@@ -214,6 +228,7 @@ export const MesoscaleGroupParams = {
|
|
|
214
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|
index: PD.Value(-1, { isHidden: true }),
|
|
215
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|
tag: PD.Value('', { isHidden: true }),
|
|
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|
label: PD.Value('', { isHidden: true }),
|
|
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|
+
description: PD.Value('', { isHidden: true }),
|
|
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|
hidden: PD.Boolean(false),
|
|
218
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|
color: PD.Group(RootParams),
|
|
219
234
|
lightness: PD.Numeric(0, { min: -6, max: 6, step: 0.1 }),
|
|
@@ -233,7 +248,7 @@ export const MesoscaleGroup = PluginStateTransform.BuiltIn({
|
|
|
233
248
|
})({
|
|
234
249
|
apply({ a, params }, plugin) {
|
|
235
250
|
return Task.create('Apply Mesoscale Group', async () => {
|
|
236
|
-
return new MesoscaleGroupObject({}, { label: params.label });
|
|
251
|
+
return new MesoscaleGroupObject({}, { label: params.label, description: params.description });
|
|
237
252
|
});
|
|
238
253
|
},
|
|
239
254
|
});
|
|
@@ -309,7 +324,10 @@ export const MesoscaleStateParams = {
|
|
|
309
324
|
filter: PD.Value('', { isHidden: true }),
|
|
310
325
|
graphics: PD.Select('quality', PD.arrayToOptions(['ultra', 'quality', 'balanced', 'performance', 'custom'])),
|
|
311
326
|
description: PD.Value('', { isHidden: true }),
|
|
327
|
+
focusInfo: PD.Value('', { isHidden: true }),
|
|
312
328
|
link: PD.Value('', { isHidden: true }),
|
|
329
|
+
textSizeDescription: PD.Numeric(14, { min: 1, max: 100, step: 1 }, { isHidden: true }),
|
|
330
|
+
index: PD.Value(-1, { isHidden: true })
|
|
313
331
|
};
|
|
314
332
|
export class MesoscaleStateObject extends PSO.Create({ name: 'Mesoscale State', typeClass: 'Object' }) {
|
|
315
333
|
}
|
|
@@ -420,6 +438,8 @@ function getFilterMatcher(filter) {
|
|
|
420
438
|
: new RegExp(escapeRegExp(filter), 'gi');
|
|
421
439
|
}
|
|
422
440
|
export function getFilteredEntities(plugin, tag, filter) {
|
|
441
|
+
if (!filter)
|
|
442
|
+
return getEntities(plugin, tag);
|
|
423
443
|
const matcher = getFilterMatcher(filter);
|
|
424
444
|
return getEntities(plugin, tag).filter(c => getEntityLabel(plugin, c).match(matcher) !== null);
|
|
425
445
|
}
|
|
@@ -435,18 +455,40 @@ export function getAllEntities(plugin, tag) {
|
|
|
435
455
|
return _getAllEntities(plugin, tag, []);
|
|
436
456
|
}
|
|
437
457
|
export function getAllFilteredEntities(plugin, tag, filter) {
|
|
458
|
+
if (!filter)
|
|
459
|
+
return getAllEntities(plugin, tag);
|
|
438
460
|
const matcher = getFilterMatcher(filter);
|
|
439
461
|
return getAllEntities(plugin, tag).filter(c => getEntityLabel(plugin, c).match(matcher) !== null);
|
|
440
462
|
}
|
|
463
|
+
export function getEveryEntity(plugin, filter, tag) {
|
|
464
|
+
if (filter) {
|
|
465
|
+
const matcher = getFilterMatcher(filter);
|
|
466
|
+
return getAllEntities(plugin, tag).filter(c => getEntityLabel(plugin, c).match(matcher) !== null);
|
|
467
|
+
}
|
|
468
|
+
else {
|
|
469
|
+
return getAllEntities(plugin, tag);
|
|
470
|
+
}
|
|
471
|
+
}
|
|
441
472
|
export function getEntityLabel(plugin, cell) {
|
|
442
473
|
var _a, _b;
|
|
443
474
|
return ((_b = (_a = StateObjectRef.resolve(plugin.state.data, cell.transform.parent)) === null || _a === void 0 ? void 0 : _a.obj) === null || _b === void 0 ? void 0 : _b.label) || 'Entity';
|
|
444
475
|
}
|
|
445
|
-
|
|
446
|
-
|
|
476
|
+
export function getCellDescription(cell) {
|
|
477
|
+
var _a, _b;
|
|
478
|
+
// markdown style for description
|
|
479
|
+
return '**' + ((_a = cell === null || cell === void 0 ? void 0 : cell.obj) === null || _a === void 0 ? void 0 : _a.label) + '**\n\n' + ((_b = cell === null || cell === void 0 ? void 0 : cell.obj) === null || _b === void 0 ? void 0 : _b.description);
|
|
480
|
+
}
|
|
481
|
+
export function getEntityDescription(plugin, cell) {
|
|
482
|
+
const s = StateObjectRef.resolve(plugin.state.data, cell.transform.parent);
|
|
483
|
+
const d = getCellDescription(s);
|
|
484
|
+
return d;
|
|
485
|
+
}
|
|
486
|
+
export async function updateColors(plugin, values, options, tag, filter) {
|
|
447
487
|
var _a, _b;
|
|
448
488
|
const update = plugin.state.data.build();
|
|
449
|
-
const { type, value, shift, lightness, alpha, emissive } = values;
|
|
489
|
+
const { type, illustrative, value, shift, lightness, alpha, emissive } = values;
|
|
490
|
+
const doLighting = (options !== undefined);
|
|
491
|
+
const { ignoreLight, materialStyle: material, celShaded } = options ? options : { ignoreLight: true, materialStyle: { metalness: 0, roughness: 0.2, bumpiness: 0 }, celShaded: false };
|
|
450
492
|
if (type === 'group-generate' || type === 'group-uniform') {
|
|
451
493
|
const groups = getAllLeafGroups(plugin, tag);
|
|
452
494
|
const baseColors = getDistinctBaseColors(groups.length, shift);
|
|
@@ -462,11 +504,20 @@ export async function updateColors(plugin, values, tag, filter) {
|
|
|
462
504
|
const c = type === 'group-generate' ? groupColors[j] : baseColors[i];
|
|
463
505
|
update.to(entities[j]).update(old => {
|
|
464
506
|
if (old.type) {
|
|
465
|
-
|
|
466
|
-
|
|
507
|
+
if (illustrative) {
|
|
508
|
+
old.colorTheme = { name: 'illustrative', params: { style: { name: 'uniform', params: { value: c, lightness: lightness } } } };
|
|
509
|
+
}
|
|
510
|
+
else {
|
|
511
|
+
old.colorTheme = { name: 'uniform', params: { value: c, lightness: lightness } };
|
|
512
|
+
}
|
|
467
513
|
old.type.params.alpha = alpha;
|
|
468
514
|
old.type.params.xrayShaded = alpha < 1 ? 'inverted' : false;
|
|
469
515
|
old.type.params.emissive = emissive;
|
|
516
|
+
if (doLighting) {
|
|
517
|
+
old.type.params.ignoreLight = ignoreLight;
|
|
518
|
+
old.type.params.material = material;
|
|
519
|
+
old.type.params.celShaded = celShaded;
|
|
520
|
+
}
|
|
470
521
|
}
|
|
471
522
|
else if (old.coloring) {
|
|
472
523
|
old.coloring.params.color = c;
|
|
@@ -479,6 +530,7 @@ export async function updateColors(plugin, values, tag, filter) {
|
|
|
479
530
|
}
|
|
480
531
|
update.to(g.transform.ref).update(old => {
|
|
481
532
|
old.color.type = type === 'group-generate' ? 'generate' : 'uniform';
|
|
533
|
+
old.color.illustrative = illustrative;
|
|
482
534
|
old.color.value = baseColors[i];
|
|
483
535
|
old.color.lightness = lightness;
|
|
484
536
|
old.color.alpha = alpha;
|
|
@@ -496,11 +548,20 @@ export async function updateColors(plugin, values, tag, filter) {
|
|
|
496
548
|
const c = type === 'generate' ? groupColors[j] : value;
|
|
497
549
|
update.to(entities[j]).update(old => {
|
|
498
550
|
if (old.type) {
|
|
499
|
-
|
|
500
|
-
|
|
551
|
+
if (illustrative) {
|
|
552
|
+
old.colorTheme = { name: 'illustrative', params: { style: { name: 'uniform', params: { value: c, lightness: lightness } } } };
|
|
553
|
+
}
|
|
554
|
+
else {
|
|
555
|
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old.colorTheme = { name: 'uniform', params: { value: c, lightness: lightness } };
|
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|
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}
|
|
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557
|
old.type.params.alpha = alpha;
|
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|
old.type.params.xrayShaded = alpha < 1 ? 'inverted' : false;
|
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|
old.type.params.emissive = emissive;
|
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if (doLighting) {
|
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|
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old.type.params.ignoreLight = ignoreLight;
|
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|
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old.type.params.material = material;
|
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|
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old.type.params.celShaded = celShaded;
|
|
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|
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}
|
|
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|
}
|
|
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566
|
else if (old.coloring) {
|
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|
old.coloring.params.color = c;
|
|
@@ -515,6 +576,7 @@ export async function updateColors(plugin, values, tag, filter) {
|
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|
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576
|
for (const o of others) {
|
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577
|
update.to(o).update(old => {
|
|
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578
|
old.color.type = type === 'generate' ? 'custom' : 'uniform';
|
|
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|
+
old.color.illustrative = illustrative;
|
|
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580
|
old.color.value = value;
|
|
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581
|
old.color.lightness = lightness;
|
|
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582
|
old.color.alpha = alpha;
|
|
@@ -533,3 +595,16 @@ export function expandAllGroups(plugin) {
|
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595
|
}
|
|
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596
|
}
|
|
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597
|
;
|
|
598
|
+
export async function updateReprParams(plugin, options) {
|
|
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|
+
const update = plugin.state.data.build();
|
|
600
|
+
const { ignoreLight, materialStyle: material, celShaded } = options;
|
|
601
|
+
const entities = getAllEntities(plugin);
|
|
602
|
+
for (let j = 0; j < entities.length; ++j) {
|
|
603
|
+
update.to(entities[j]).update(old => {
|
|
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|
+
old.type.params.ignoreLight = ignoreLight;
|
|
605
|
+
old.type.params.material = material;
|
|
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|
+
old.type.params.celShaded = celShaded;
|
|
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|
+
});
|
|
608
|
+
}
|
|
609
|
+
await update.commit();
|
|
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|
+
}
|
|
@@ -1,101 +1,106 @@
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<!DOCTYPE html>
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|
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}
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|
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|
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|
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|
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|
-
|
|
1
|
+
<!DOCTYPE html>
|
|
2
|
+
<html lang="en">
|
|
3
|
+
<head>
|
|
4
|
+
<meta charset="utf-8" />
|
|
5
|
+
<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
|
|
6
|
+
<link rel="icon" href="./favicon.ico" type="image/x-icon">
|
|
7
|
+
<link rel="stylesheet" href="./extras/driver.css"/>
|
|
8
|
+
<title>Mol* Mesoscale Explorer</title>
|
|
9
|
+
<style>
|
|
10
|
+
* {
|
|
11
|
+
margin: 0;
|
|
12
|
+
padding: 0;
|
|
13
|
+
box-sizing: border-box;
|
|
14
|
+
}
|
|
15
|
+
html, body {
|
|
16
|
+
width: 100%;
|
|
17
|
+
height: 100%;
|
|
18
|
+
overflow: hidden;
|
|
19
|
+
}
|
|
20
|
+
hr {
|
|
21
|
+
margin: 10px;
|
|
22
|
+
}
|
|
23
|
+
h1, h2, h3, h4, h5 {
|
|
24
|
+
margin-top: 5px;
|
|
25
|
+
margin-bottom: 3px;
|
|
26
|
+
}
|
|
27
|
+
button {
|
|
28
|
+
padding: 2px;
|
|
29
|
+
}
|
|
30
|
+
#app {
|
|
31
|
+
position: absolute;
|
|
32
|
+
left: 100px;
|
|
33
|
+
top: 100px;
|
|
34
|
+
width: 800px;
|
|
35
|
+
height: 600px;
|
|
36
|
+
}
|
|
37
|
+
</style>
|
|
38
|
+
<link rel="stylesheet" type="text/css" href="molstar.css" />
|
|
39
|
+
</head>
|
|
40
|
+
<body>
|
|
41
|
+
<div id="app"></div>
|
|
42
|
+
<script src="./extras/driver.js.iife.js"></script>
|
|
43
|
+
<script type="text/javascript" src="./molstar.js"></script>
|
|
44
|
+
<script type="text/javascript">
|
|
45
|
+
const driver = window.driver ? window.driver.js.driver() : undefined;
|
|
46
|
+
|
|
47
|
+
function getParam(name, regex) {
|
|
48
|
+
var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
|
|
49
|
+
return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
|
|
50
|
+
}
|
|
51
|
+
|
|
52
|
+
var debugMode = getParam('debug-mode', '[^&]+').trim() === '1';
|
|
53
|
+
if (debugMode) molstar.setDebugMode(debugMode);
|
|
54
|
+
|
|
55
|
+
var timingMode = getParam('timing-mode', '[^&]+').trim() === '1';
|
|
56
|
+
if (timingMode) molstar.setTimingMode(timingMode);
|
|
57
|
+
|
|
58
|
+
var hideControls = getParam('hide-controls', '[^&]+').trim() === '1';
|
|
59
|
+
var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
|
|
60
|
+
var allowMajorPerformanceCaveat = getParam('allow-major-performance-caveat', '[^&]+').trim() === '1';
|
|
61
|
+
var powerPreference = getParam('power-preference', '[^&]+').trim().toLowerCase();
|
|
62
|
+
var graphicsMode = getParam('graphics-mode', '[^&]+').trim().toLowerCase();
|
|
63
|
+
|
|
64
|
+
molstar.MesoscaleExplorer.create('app', {
|
|
65
|
+
layoutShowControls: !hideControls,
|
|
66
|
+
viewportShowExpand: false,
|
|
67
|
+
preferWebgl1: preferWebgl1,
|
|
68
|
+
allowMajorPerformanceCaveat: allowMajorPerformanceCaveat,
|
|
69
|
+
powerPreference: powerPreference || 'high-performance',
|
|
70
|
+
graphicsMode: graphicsMode || 'quality',
|
|
71
|
+
driver: driver
|
|
72
|
+
}).then(me => {
|
|
73
|
+
var example = getParam('example', '[^&]+').trim();
|
|
74
|
+
if (example) {
|
|
75
|
+
me.loadExample(example);
|
|
76
|
+
return;
|
|
77
|
+
}
|
|
78
|
+
|
|
79
|
+
var url = getParam('url', '[^&]+').trim();
|
|
80
|
+
var type = getParam('type', '[^&]+').trim();
|
|
81
|
+
if (url && type) {
|
|
82
|
+
me.loadUrl(url, type);
|
|
83
|
+
return;
|
|
84
|
+
}
|
|
85
|
+
|
|
86
|
+
var pdb = getParam('pdb', '[^&]+').trim();
|
|
87
|
+
if (pdb) {
|
|
88
|
+
me.loadPdb(pdb);
|
|
89
|
+
return;
|
|
90
|
+
}
|
|
91
|
+
|
|
92
|
+
var pdbdev = getParam('pdbdev', '[^&]+').trim();
|
|
93
|
+
if (pdbdev) {
|
|
94
|
+
me.loadPdbDev(pdbdev);
|
|
95
|
+
return;
|
|
96
|
+
}
|
|
97
|
+
|
|
98
|
+
window.addEventListener('unload', () => {
|
|
99
|
+
// to aid GC
|
|
100
|
+
me.dispose();
|
|
101
|
+
});
|
|
102
|
+
});
|
|
103
|
+
</script>
|
|
104
|
+
<!-- __MOLSTAR_ANALYTICS__ -->
|
|
105
|
+
</body>
|
|
106
|
+
</html>
|